3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol

C16H29NO2 — CID 79919663

IUPAC3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c18-11-4-6-14-5-3-10-17(14)15-7-12-19-16(13-15)8-1-2-9-16/h14-15,18H,1-13H2
InChIKeyWGFSCYFBNGVWQA-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.72
Rot. Bonds4

About 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 79919663) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID79919663
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO2/c18-11-4-6-14-5-3-10-17(14)15-7-12-19-16(13-15)8-1-2-9-16/h14-15,18H,1-13H2
InChIKeyWGFSCYFBNGVWQA-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 79919417
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920119
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 103857795
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
[3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 102787849

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol (CID 79919663) is 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is WGFSCYFBNGVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-11-4-6-14-5-3-10-17(14)15-7-12-19-16(13-15)8-1-2-9-16/h14-15,18H,1-13H2.
What are the key properties of 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 267.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79919663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).